(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone

C12H15N5O — CID 124979623

IUPAC(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCc1cc2ncc(C(=O)[C@@H]3CCCN3)c(N)n2n1
InChIInChI=1S/C12H15N5O/c1-7-5-10-15-6-8(12(13)17(10)16-7)11(18)9-3-2-4-14-9/h5-6,9,14H,2-4,13H2,1H3/t9-/m0/s1
InChIKeyMCRVTHJZMVZNSI-VIFPVBQESA-N
MW245.29 g/mol
LogP0.55
Rot. Bonds2

About (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone

(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 124979623) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID124979623
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCc1cc2ncc(C(=O)[C@@H]3CCCN3)c(N)n2n1
InChIInChI=1S/C12H15N5O/c1-7-5-10-15-6-8(12(13)17(10)16-7)11(18)9-3-2-4-14-9/h5-6,9,14H,2-4,13H2,1H3/t9-/m0/s1
InChIKeyMCRVTHJZMVZNSI-VIFPVBQESA-N
XLogP0.55
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 56914003
7-amino-N-[(1R,3R)-3-aminocyclopentyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56752654
(5-amino-3-methylpyrazol-1-yl)-piperidin-2-ylmethanone
CID 110837893
(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 110143428
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
(3,5-dimethylpiperidin-1-yl)-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 42938714
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 127432946
methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 84690112
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
CID 130603335
(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
CID 83484821

Frequently Asked Questions

What is the IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone (CID 124979623) is (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone is Cc1cc2ncc(C(=O)[C@@H]3CCCN3)c(N)n2n1.
What is the InChIKey of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is MCRVTHJZMVZNSI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-5-10-15-6-8(12(13)17(10)16-7)11(18)9-3-2-4-14-9/h5-6,9,14H,2-4,13H2,1H3/t9-/m0/s1.
What are the key properties of (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone?
(7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 245.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 124979623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).